3-pentan-2-yloxyspiro[3.5]nonan-1-ol

C14H26O2 — CID 102988636

IUPAC3-pentan-2-yloxyspiro[3.5]nonan-1-ol
SMILESCCCC(C)OC1CC(O)C12CCCCC2
InChIInChI=1S/C14H26O2/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyPKXLASPWOSJTSJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds4

About 3-pentan-2-yloxyspiro[3.5]nonan-1-ol

3-pentan-2-yloxyspiro[3.5]nonan-1-ol (PubChem CID 102988636) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-pentan-2-yloxyspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-pentan-2-yloxyspiro[3.5]nonan-1-ol
PubChem CID102988636
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-pentan-2-yloxyspiro[3.5]nonan-1-ol
SMILESCCCC(C)OC1CC(O)C12CCCCC2
InChIInChI=1S/C14H26O2/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyPKXLASPWOSJTSJ-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pentan-2-yloxyspiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxyspiro[3.5]nonan-1-ol?
The IUPAC name of 3-pentan-2-yloxyspiro[3.5]nonan-1-ol (CID 102988636) is 3-pentan-2-yloxyspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-pentan-2-yloxyspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-pentan-2-yloxyspiro[3.5]nonan-1-ol is CCCC(C)OC1CC(O)C12CCCCC2.
What is the InChIKey of 3-pentan-2-yloxyspiro[3.5]nonan-1-ol?
The InChIKey is PKXLASPWOSJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-7-11(2)16-13-10-12(15)14(13)8-5-4-6-9-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-pentan-2-yloxyspiro[3.5]nonan-1-ol?
3-pentan-2-yloxyspiro[3.5]nonan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxyspiro[3.5]nonan-1-ol is sourced from PubChem (CID 102988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).